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9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3.beta.,5Z,7E)-

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9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3.beta.,5Z,7E)-
SpectraBase Compound ID K1o8FARw5Fl
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-
InChIKey JWUBBDSIWDLEOM-DWKIUPLPSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pVUFNRjzax
Name
CAS Registry Number 19356-17-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-
InChIKey JWUBBDSIWDLEOM-DWKIUPLPSA-N
Instrument Name Varian XL-100
Literature Reference T.H. Williams, D.N. Greeley, E.G. Baggiolini, Helv. Chim. Acta 63, 1609 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD